LMPK12113329
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.2453    7.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2453    6.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    6.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    6.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    7.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180    6.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088    6.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0090    7.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180    7.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180    5.4745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4039    7.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1081    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1081    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040    9.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6999    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    5.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040    9.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990    9.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    8.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0116    9.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  6 23  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113329

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone

> <FORMULA>
C17H14O9

> <MASS>
362.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KSJBARLBEFNDQZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14483219

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$